| x | y | z | Uiso*/Ueq | ||
| C1 | 0.2620 (2) | 0.61723 (15) | −0.00254 (7) | 0.0299 (4) | |
| C2 | 0.2708 (2) | 0.58244 (17) | −0.06949 (8) | 0.0337 (4) | |
| H2 | 0.2594 | 0.4884 | −0.0830 | 0.040* | |
| C3 | 0.2967 (2) | 0.68797 (18) | −0.11657 (8) | 0.0356 (4) | |
| H3 | 0.3019 | 0.6656 | −0.1620 | 0.043* | |
| C4 | 0.3149 (2) | 0.82767 (17) | −0.09555 (8) | 0.0335 (4) | |
| C5 | 0.3093 (2) | 0.85951 (17) | −0.02791 (7) | 0.0329 (4) | |
| H5 | 0.3239 | 0.9532 | −0.0142 | 0.039* | |
| C6 | 0.2826 (2) | 0.75487 (16) | 0.01994 (7) | 0.0297 (4) | |
| C7 | 0.2766 (2) | 0.78954 (16) | 0.09386 (7) | 0.0323 (4) | |
| H7 | 0.3939 | 0.8453 | 0.1045 | 0.039* | |
| C8 | 0.2891 (2) | 0.65553 (16) | 0.13472 (7) | 0.0310 (4) | |
| C9 | 0.2506 (2) | 0.52117 (16) | 0.10765 (7) | 0.0289 (4) | |
| C10 | 0.2007 (2) | 0.26444 (16) | 0.10926 (9) | 0.0379 (4) | |
| H10A | 0.0798 | 0.2655 | 0.0842 | 0.057* | |
| H10B | 0.1950 | 0.1928 | 0.1434 | 0.057* | |
| H10C | 0.3067 | 0.2442 | 0.0796 | 0.057* | |
| C11 | 0.0974 (3) | 0.88254 (16) | 0.11164 (8) | 0.0379 (4) | |
| H11A | 0.1119 | 0.9171 | 0.1573 | 0.046* | |
| H11B | 0.0916 | 0.9638 | 0.0819 | 0.046* | |
| C12 | 0.3430 (3) | 0.9162 (2) | −0.20753 (8) | 0.0543 (5) | |
| H12A | 0.4498 | 0.8543 | −0.2180 | 0.081* | |
| H12B | 0.3585 | 1.0045 | −0.2308 | 0.081* | |
| H12C | 0.2219 | 0.8728 | −0.2213 | 0.081* | |
| N1 | 0.2318 (2) | 0.40166 (13) | 0.14032 (6) | 0.0336 (3) | |
| H1 | 0.2383 | 0.4048 | 0.1834 | 0.040* | |
| N2 | 0.3329 (2) | 0.67051 (14) | 0.20171 (6) | 0.0356 (3) | |
| N3 | −0.0864 (2) | 0.80035 (15) | 0.10518 (7) | 0.0411 (4) | |
| O1 | 0.22704 (16) | 0.50418 (11) | 0.04132 (5) | 0.0358 (3) | |
| O2 | 0.3398 (2) | 0.56472 (13) | 0.24035 (5) | 0.0496 (4) | |
| O3 | 0.3669 (2) | 0.79190 (12) | 0.22406 (6) | 0.0484 (4) | |
| O4 | −0.1438 (2) | 0.73633 (16) | 0.15375 (8) | 0.0703 (5) | |
| O5 | −0.1686 (2) | 0.79552 (16) | 0.05057 (7) | 0.0641 (4) | |
| O6 | 0.34105 (19) | 0.94142 (13) | −0.13716 (6) | 0.0486 (4) |